| CAS Number | 228245-16-7 |
| Catalog Number | AG00BN2S(AGN-PC-050B6O) |
| Chemical Name | Carbamic acid, (3-aminopropoxy)-, 1,1-dimethylethyl ester (9CI) |
| IUPAC Name | tert-butyl N-(3-aminopropoxy)carbamate |
| InChI | InChI=1S/C8H18N2O3/c1-8(2,3)13-7(11)10-12-6-4-5-9/h4-6,9H2,1-3H3,(H,10,11) |
| InChI Key | OKYUIKBFUVQYSQ-UHFFFAOYSA-N |
| MDL Number | MFCD20701870 |
| Molecular Formula | C8H18N2O3 |
| Molecular Weight | 190.2401 |
| SMILES | NCCCONC(=O)OC(C)(C)C |
| Synonyms | 228245-16-7,
tert-butyl 3-aminopropoxycarbamate,
N-(3-Aminopropoxy)-O-tert-butylcarbamate,
SCHEMBL962814,
Carbamic acid, (3-aminopropoxy)-, 1,1-dimethylethyl ester (9CI),
ZINC39091100,
tert-butyl N-(3-aminopropoxy)carbamate,
(3-Aminopropoxy)carbamic acid tert-butyl ester,
Carbamicacid, -,1,1-dimethylethylester,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.243g/mol |
| Monoisotopic Mass | 190.132g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 73.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number